bis[1-amino-3-(benzyloxy)propan-2-yl] oxalate

bis[1-amino-3-(benzyloxy)propan-2-yl] oxalate

CAS: 1185300-36-0

Formula: C22H28N2O6

SMILES: NCC(COCC1=CC=CC=C1)OC(=O)C(=O)OC(CN)COCC1=CC=CC=C1

IUPAC: bis[1-amino-3-(benzyloxy)propan-2-yl] oxalate

InChI: InChI=1/C22H28N2O6/c23-11-19(15-27-13-17-7-3-1-4-8-17)29-21(25)22(26)30-20(12-24)16-28-14-18-9-5-2-6-10-18/h1-10,19-20H,11-16,23-24H2

Composition: C (63.45%), H (6.78%), N (6.73%), O (23.05%)

Molar Mass: 416.474

Atom Count: 58

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	416.19473663
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	KDQMKCQBXKISJF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.53
Topological Polar Surface Area	123.1
Polarizability	44.31
Ring Count	2
Rotatable Bond Count	15

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